1-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]-3-(3-phenylpropyl)thiourea

Systemtic Name: 1-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]-3-(3-phenylpropyl)thiourea Openeye Name: 1-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]-3-(3-phenylpropyl)thiourea CAS Name: 1-[[3-(2,4-dimethoxy-5-pyrimidinyl)-1-oxoprop-2-enyl]amino]-3-(3-phenylpropyl)thiourea IUPAC Name: 1-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]-3-(3-phenylpropyl)thiourea Traditional Name: 1-[[3-(2,4-dimethoxypyrimidin-5-yl)acryloyl]amino]-3-(3-phenylpropyl)thiourea Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C=CC(=O)NNC(=S)NCCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=NC(=NC=C1C=CC(=O)NNC(=S)NCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H23N5O3S/c1-26-17-15(13-21-18(22-17)27-2)10-11-16(25)23-24-19(28)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,23,25)(H2,20,24,28)